2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

C11H13N3O2S2 — CID 61353572

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCS2(=O)=O)sc2c1CCNC2
InChIInChI=1S/C11H13N3O2S2/c12-6-9-8-2-3-13-7-10(8)17-11(9)14-4-1-5-18(14,15)16/h13H,1-5,7H2
InChIKeyRNRCUHIIQDVHCL-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.81
Rot. Bonds1

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 61353572) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID61353572
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCS2(=O)=O)sc2c1CCNC2
InChIInChI=1S/C11H13N3O2S2/c12-6-9-8-2-3-13-7-10(8)17-11(9)14-4-1-5-18(14,15)16/h13H,1-5,7H2
InChIKeyRNRCUHIIQDVHCL-UHFFFAOYSA-N
XLogP0.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (CID 61353572) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N2CCCS2(=O)=O)sc2c1CCNC2.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is RNRCUHIIQDVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-6-9-8-2-3-13-7-10(8)17-11(9)14-4-1-5-18(14,15)16/h13H,1-5,7H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 61353572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).